4-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[2-(butylamino)-2-oxo-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[2-(butylamino)-2-oxoethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[2-(butylamino)-2-oxoethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[[2-(butylamino)-2-keto-ethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O4S/c1-2-3-10-24-18(27)12-31-17-9-8-13(11-16(17)26(29)30)19(28)25-15-7-5-4-6-14(15)20(21,22)23/h4-9,11H,2-3,10,12H2,1H3,(H,24,27)(H,25,28)